Structure of PDB 2d2m Chain C Binding Site BS01

Receptor Information
>2d2m Chain C (length=146) Species: 55676 (Oligobrachia mashikoi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SCCSSEDRANVMHNWDAAWSAAYSDRRVALAQAVFASLFSRDAAAQGLFS
GVSADNPDSADFRAHCVRVVNGLDVAINMLNDPAVLNEQLAHLSAQHQAR
AGVAAAHFDVMAEAFAEVMPQVSSCFSSDSWNRCFARIANGISAGL
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain2d2m Chain C Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2d2m Structure of an extracellular giant hemoglobin of the gutless beard worm Oligobrachia mashikoi.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		L49 F50 V53 H66 V70 L94 Q97 H98 R101 V104 H108 F109 M112 I143
Binding residue
(residue number reindexed from 1)		L48 F49 V52 H65 V69 L93 Q96 H97 R100 V103 H107 F108 M111 I142
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005344 oxygen carrier activity
GO:0005506 iron ion binding
GO:0019825 oxygen binding
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0001666 response to hypoxia
GO:0015671 oxygen transport
Cellular Component
GO:0005576 extracellular region
GO:0005833 hemoglobin complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2d2m, PDBe:2d2m, PDBj:2d2m
PDBsum2d2m
PubMed16204001
UniProtQ7M418|GLBB2_OLIMA Extracellular giant hemoglobin major globin subunit B2 (Gene Name=ghbB2)

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